5-bromo-2-iodo-N-(1-morpholin-3-ylpropan-2-yl)aniline

C13H18BrIN2O — CID 114259216

IUPAC5-bromo-2-iodo-N-(1-morpholin-3-ylpropan-2-yl)aniline
SMILESCC(CC1COCCN1)Nc1cc(Br)ccc1I
InChIInChI=1S/C13H18BrIN2O/c1-9(6-11-8-18-5-4-16-11)17-13-7-10(14)2-3-12(13)15/h2-3,7,9,11,16-17H,4-6,8H2,1H3
InChIKeyVZHDJEPSIJKBJO-UHFFFAOYSA-N
MW425.11 g/mol
LogP3.23
Rot. Bonds4

About 5-bromo-2-iodo-N-(1-morpholin-3-ylpropan-2-yl)aniline

5-bromo-2-iodo-N-(1-morpholin-3-ylpropan-2-yl)aniline (PubChem CID 114259216) has the molecular formula C13H18BrIN2O and a molecular weight of 425.11 g/mol. Its IUPAC name is 5-bromo-2-iodo-N-(1-morpholin-3-ylpropan-2-yl)aniline.

Molecular Properties

Compound Name5-bromo-2-iodo-N-(1-morpholin-3-ylpropan-2-yl)aniline
PubChem CID114259216
Molecular FormulaC13H18BrIN2O
Molecular Weight425.11 g/mol
Exact Mass423.96
IUPAC Name5-bromo-2-iodo-N-(1-morpholin-3-ylpropan-2-yl)aniline
SMILESCC(CC1COCCN1)Nc1cc(Br)ccc1I
InChIInChI=1S/C13H18BrIN2O/c1-9(6-11-8-18-5-4-16-11)17-13-7-10(14)2-3-12(13)15/h2-3,7,9,11,16-17H,4-6,8H2,1H3
InChIKeyVZHDJEPSIJKBJO-UHFFFAOYSA-N
XLogP3.23
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.11
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 5-bromo-2-iodo-N-(1-morpholin-3-ylpropan-2-yl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromophenyl)-2-morpholin-3-ylethanol
CID 81466682
4-bromo-2-ethyl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 81292262
4-bromo-2-fluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79549522
3-(2-methylpropyl)morpholine
CID 20811826
4-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)-2-(trifluoromethyl)aniline
CID 79541571
5-bromo-2-(1-pyrrolidin-2-ylpropan-2-ylamino)benzonitrile
CID 82707999
1-(5-bromothiophen-2-yl)-N-methyl-2-morpholin-3-ylethanamine
CID 116956778
4-bromo-2-nitro-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79538410
4-bromo-2-fluoro-N-(morpholin-3-ylmethyl)benzamide
CID 103548342
N-[(5-bromo-2-methoxyphenyl)methyl]-1-morpholin-3-ylmethanamine
CID 115238006
1-(5-bromo-2-methylphenyl)-2-morpholin-3-ylethanone
CID 116919919
2-morpholin-3-yl-1-(4-propan-2-ylphenyl)ethanamine
CID 116941456

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-iodo-N-(1-morpholin-3-ylpropan-2-yl)aniline?
The IUPAC name of 5-bromo-2-iodo-N-(1-morpholin-3-ylpropan-2-yl)aniline (CID 114259216) is 5-bromo-2-iodo-N-(1-morpholin-3-ylpropan-2-yl)aniline.
What is the SMILES notation for 5-bromo-2-iodo-N-(1-morpholin-3-ylpropan-2-yl)aniline?
The canonical SMILES for 5-bromo-2-iodo-N-(1-morpholin-3-ylpropan-2-yl)aniline is CC(CC1COCCN1)Nc1cc(Br)ccc1I.
What is the InChIKey of 5-bromo-2-iodo-N-(1-morpholin-3-ylpropan-2-yl)aniline?
The InChIKey is VZHDJEPSIJKBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrIN2O/c1-9(6-11-8-18-5-4-16-11)17-13-7-10(14)2-3-12(13)15/h2-3,7,9,11,16-17H,4-6,8H2,1H3.
What are the key properties of 5-bromo-2-iodo-N-(1-morpholin-3-ylpropan-2-yl)aniline?
5-bromo-2-iodo-N-(1-morpholin-3-ylpropan-2-yl)aniline has a molecular weight of 425.11 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-iodo-N-(1-morpholin-3-ylpropan-2-yl)aniline is sourced from PubChem (CID 114259216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).